Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.5788    0.1462    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590   -0.6803    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915   -0.2047    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -0.8969    0.0863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0341   -0.0665   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4733    1.2905   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0303    2.3953   -0.4195 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    1.1319   -0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751   -0.4576   -1.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0184   -0.1169    0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.2095    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849   -0.1328    0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7504   -1.7278    0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -1.5206   -1.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850    0.1714   -2.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8814   -0.3089   -1.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7737    0.6742    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4695    0.2146    1.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4646   -1.1205    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers